4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene

C10H9Cl3O — CID 79173911

IUPAC4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene
SMILESCc1ccc(Cl)cc1OCC(Cl)=CCl
InChIInChI=1S/C10H9Cl3O/c1-7-2-3-8(12)4-10(7)14-6-9(13)5-11/h2-5H,6H2,1H3
InChIKeySOUNCJQHJBZOFC-UHFFFAOYSA-N
MW251.54 g/mol
LogP4.35
Rot. Bonds3

About 4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene

4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene (PubChem CID 79173911) has the molecular formula C10H9Cl3O and a molecular weight of 251.54 g/mol. Its IUPAC name is 4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene.

Molecular Properties

Compound Name4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene
PubChem CID79173911
Molecular FormulaC10H9Cl3O
Molecular Weight251.54 g/mol
Exact Mass249.97
IUPAC Name4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene
SMILESCc1ccc(Cl)cc1OCC(Cl)=CCl
InChIInChI=1S/C10H9Cl3O/c1-7-2-3-8(12)4-10(7)14-6-9(13)5-11/h2-5H,6H2,1H3
InChIKeySOUNCJQHJBZOFC-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dichloroprop-2-enoxy)-1-fluoro-4-methylbenzene
CID 79173807
[5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methanol
CID 79173766
1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene
CID 79173704
2-(5-chloro-2-methylphenoxy)acetamide
CID 65439903
N-[[5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 79167603
1-(5-chloro-2-methylphenoxy)propan-2-ol
CID 21423645
[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol
CID 79173873
3-chloro-4-(2,3-dichloroprop-2-enoxy)benzonitrile
CID 79168432
1-chloro-3-(5-chloro-2-methylphenoxy)propan-2-ol
CID 112560845
4-bromo-1-chloro-2-(2,3-dichloroprop-2-enoxy)benzene
CID 79167187
2-(5-chloro-2-methylphenoxy)-1-(oxolan-3-yl)ethanone
CID 104752130
1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene
CID 572020

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene?
The IUPAC name of 4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene (CID 79173911) is 4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene.
What is the SMILES notation for 4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene?
The canonical SMILES for 4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene is Cc1ccc(Cl)cc1OCC(Cl)=CCl.
What is the InChIKey of 4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene?
The InChIKey is SOUNCJQHJBZOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3O/c1-7-2-3-8(12)4-10(7)14-6-9(13)5-11/h2-5H,6H2,1H3.
What are the key properties of 4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene?
4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene has a molecular weight of 251.54 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,3-dichloroprop-2-enoxy)-1-methylbenzene is sourced from PubChem (CID 79173911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).